Table of (C60)nF- clusters

The energies and point groups (PG) of the lowest energy minima of (C60)n F-  found for n≤13.

The unit of energy is in eV and the unit of distance is the effective radius Rf (Rf=4.75 Angstrom).

Click on a label to obtain the Cartesian coordinates of a minimum.
 


n
PG
Energy
1
Cinftyv
-0.66462
2
C2v -1.36448
3
C3v -2.20825
4
Td -3.17601
5
C3v -4.04291
6
C3v -4.93218
7
C2v -6.03812
8
Cs -6.91238
9
Cs -8.00979
10
C1 -9.03597
11
Cs -10.10343
12
Cs -11.19379
13
C3v -12.33644


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J. Doye © 1997